4-Piperidinone

C5H9NOCAS 41661-47-699.13 g/mol

Open in Covalent MOL file
ONH
KetoneSecondary amine

Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
logP
-0.06Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41661-47-6
SMILES
O=C1CCNCC1
InChIKey
VRJHQPZVIGNGMX-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 4-Piperidone
  • γ-Piperidinone
  • γ-Piperidone
  • 4-Oxopiperidine
  • Piperidine-4-one

Work with 4-Piperidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Piperidone hydrochloride41979-39-9Salt 4-Piperidone hydrochloride hydrate320589-77-3Salt

Similar compounds

Azepan-4-one hydrochloride50492-22-367 % similar 3-Pyrrolidinone96-42-467 % similar Pyrrolidin-3-one hydrochloride3760-52-957 % similar 1,4-Cyclohexanedione637-88-753 % similar Cyclobutanone1191-95-347 % similar Cyclopentanone120-92-347 % similar 1,4-Diazepan-5-one34376-54-045 % similar Cyclohexanone108-94-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 Cyclobutanecarboxamide1503-98-6 tert-Butyl isocyanate1609-86-5 2-Oxa-6-azaspiro[3.3]heptane174-78-7 3-Ethoxypropanenitrile2141-62-0

Elsewhere

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